N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide

C6H16N2O4S2 — CID 3336314

IUPACN-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C6H16N2O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h7-8H,3-6H2,1-2H3
InChIKeyHXOKHBRCQYTPOD-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.13
Rot. Bonds7

About N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide

N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide (PubChem CID 3336314) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
PubChem CID3336314
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C6H16N2O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h7-8H,3-6H2,1-2H3
InChIKeyHXOKHBRCQYTPOD-UHFFFAOYSA-N
XLogP-1.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide (CID 3336314) is N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNS(=O)(=O)CC.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide?
The InChIKey is HXOKHBRCQYTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S2/c1-3-13(9,10)7-5-6-8-14(11,12)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide?
N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide has a molecular weight of 244.34 g/mol, XLogP of -1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 3336314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).